[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H16BrNO5 MolecularWeight: 430.24874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)C2=CC=C(C=C2)Br)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)C2=CC=C(C=C2)Br)OCC#N

InChI

InChI=1S/C20H16BrNO5/c1-25-19-12-14(2-8-18(19)26-11-10-22)3-9-20(24)27-13-17(23)15-4-6-16(21)7-5-15/h2-9,12H,11,13H2,1H3/b9-3+